![IMBRICATOSIDE-A;(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-5-O-SULFATE-BETA-D-FUCOFURANOSYL]-5-ALPHA-CHOLESTANE-3B,4B,6A,7A,8,15B-HEXAOL](/api/spectrum/Jl3qcLwrP17/structure.png?h=300&w=458 "IMBRICATOSIDE-A;(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-5-O-SULFATE-BETA-D-FUCOFURANOSYL]-5-ALPHA-CHOLESTANE-3B,4B,6A,7A,8,15B-HEXAOL")
| SpectraBase Compound ID | 6rm9nKKK6AR |
|---|---|
| InChI | InChI=1S/C41H72O18S.Na/c1-17(2)24(56-38-34(30(47)32(57-38)20(5)59-60(50,51)52)58-37-33(54-9)29(46)31(53-8)19(4)55-37)11-10-18(3)21-16-23(43)35-39(21,6)15-13-25-40(7)14-12-22(42)27(44)26(40)28(45)36(48)41(25,35)49;/h17-38,42-49H,10-16H2,1-9H3,(H,50,51,52);/q;+1/p-1/t18-,19-,20?,21-,22+,23-,24+,25-,26-,27+,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38-,39-,40-,41+;/m1./s1 |
| InChIKey | YVHSYJDWUJNXBG-PDCMUDTDSA-M |
| Mol Weight | 907.1 g/mol |
| Molecular Formula | C41H71NaO18S |
| Exact Mass | 906.425881 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jl3qcLwrP17 |
|---|---|
| Name | IMBRICATOSIDE-A;(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-5-O-SULFATE-BETA-D-FUCOFURANOSYL]-5-ALPHA-CHOLESTANE-3B,4B,6A,7A,8,15B-HEXAOL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H71NaO18S |
| InChI | InChI=1S/C41H72O18S.Na/c1-17(2)24(56-38-34(30(47)32(57-38)20(5)59-60(50,51)52)58-37-33(54-9)29(46)31(53-8)19(4)55-37)11-10-18(3)21-16-23(43)35-39(21,6)15-13-25-40(7)14-12-22(42)27(44)26(40)28(45)36(48)41(25,35)49;/h17-38,42-49H,10-16H2,1-9H3,(H,50,51,52);/q;+1/p-1/t18-,19-,20?,21-,22+,23-,24+,25-,26-,27+,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38-,39-,40-,41+;/m1./s1 |
| InChIKey | YVHSYJDWUJNXBG-PDCMUDTDSA-M |
| Literature Reference Author | I.BRUNO,L.MINALE,R.RICCIO |
| Literature Reference Citation | J.NAT.PROD.,53,366(1990) |
| Literature Reference DOI | 10.1021/np50068a015 |
| Molecular Weight | 907.054 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWED17216 |